6-[[4-[1-(pyridin-2-yldisulfanyl)ethyl]phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[4-[1-(pyridin-2-yldisulfanyl)ethyl]phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[4-[1-(2-pyridyldisulfanyl)ethyl]benzoyl]amino]hexanoic acid CAS Name: 6-[[oxo-[4-[1-(2-pyridinyldisulfanyl)ethyl]phenyl]methyl]amino]hexanoic acid IUPAC Name: 6-[[4-[1-(pyridin-2-yldisulfanyl)ethyl]benzoyl]amino]hexanoic acid Traditional Name: 6-[[4-[1-(2-pyridyldisulfanyl)ethyl]benzoyl]amino]hexanoic acid Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)NCCCCCC(=O)O)SSC2=CC=CC=N2

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)NCCCCCC(=O)O)SSC2=CC=CC=N2

InChI

InChI=1S/C20H24N2O3S2/c1-15(26-27-18-7-4-6-13-21-18)16-9-11-17(12-10-16)20(25)22-14-5-2-3-8-19(23)24/h4,6-7,9-13,15H,2-3,5,8,14H2,1H3,(H,22,25)(H,23,24)